SCHEMBL4727210

SCHEMBL4727210

CC(=O)Nc1cccc(OCCCCCOc2cccc(NC(C)=O)c2)c1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.67
MEN1 O00255 1/20 0.67
SMN1; SMN2 Q16637 2/20 0.65
NPC1 O15118 2/20 0.65
RAB9A P51151 1/20 0.65
MAPT P10636 3/20 0.64
ALDH1A1 P00352 1/20 0.63
AHR P35869 1/20 0.60
THRB P10828 1/20 0.59
FAAH O00519 1/20 0.58
DRD2 P14416 1/20 0.57
HTR2A P28223 1/20 0.57
NR1H4 Q96RI1 2/20 0.54
MTNR1A P48039 1/20 0.54
MTNR1B P49286 1/20 0.54

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14544616 0.94 THRB (0.65) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL11546092 0.93 SMN1; SMN2 (0.68) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL9769453 0.92 THRB (0.67) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL3169131 0.91 KMT2A (0.64) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL1545948 0.89 KMT2A (0.63) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL2000945 0.89 KMT2A (0.63) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL4314263 0.89 SMN1; SMN2 (0.63) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL9969534 0.89 SMN1; SMN2 (0.63) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL13528229 0.88 MAPT (0.66) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL1996620 0.88 SMN1; SMN2 (0.62) KMT2AMEN1SMN1; SMN2NPC1RAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008033466-A2 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PRE. LTD. (SG) 2008-03-20 WO claimed
WO-2008033466-A2 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PRE. LTD. (SG) 2008-03-20 WO disclosed